| CAS Number | 1539817-33-8 |
| Catalog Number | AG00IMPY(AGN-PC-0WOMAV) |
| Chemical Name | 5-bromo-2-(4-methanesulfonylpiperazine-1-carbonyl)aniline |
| IUPAC Name | (2-amino-4-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone |
| InChI | InChI=1S/C12H16BrN3O3S/c1-20(18,19)16-6-4-15(5-7-16)12(17)10-3-2-9(13)8-11(10)14/h2-3,8H,4-7,14H2,1H3 |
| InChI Key | MLGGEWPEPQQPAJ-UHFFFAOYSA-N |
| MDL Number | MFCD31382010 |
| Molecular Formula | C12H16BrN3O3S |
| Molecular Weight | 362.2427 |
| SMILES | O=C(C2=CC=C(Br)C=C2N)N1CCN(S(=O)(C)=O)CC1 |
| Synonyms | Methanone, (2-amino-4-bromophenyl)[4-(methylsulfonyl)-1-piperazinyl]-,
1539817-33-8,
AKOS018277455,
|
| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.242g/mol |
| Monoisotopic Mass | 361.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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